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Yeast DNA polymerase eta inserting dctp opposite an 8OXOG lesion

Analyse Yeast DNA polymerase eta inserting dctp opposite an 8OXOG lesion in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3OHA
Type
protein + DNA
Length
540 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase eta; 5'-D(*GP*TP*CP*CP*TP*CP*CP*CP*CP*TP*(DOC))-3'…
EC
2.7.7.7
UniProt
Q04049
Ligands
DCP, MG, SO4
Pockets
4 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase eta (EC 2.7.7.7)protein51642% helix, 19% strandQ04049
P5'-D(*GP*TP*CP*CP*TP*CP*CP*CP*CP*TP*(DOC))-3'dna11——
T5'-D(P*TP*(8OG)P*GP*AP*GP*GP*GP*GP*AP*GP*GP*AP*C)-3'dna13——

Ligands and binding sites

  • DCP · 2'-deoxycytidine-5'-triphosphate · ligand · chains A, P, T
  • MG · Magnesium ion · metal · 2 copies · chains A, P
  • SO4 · Sulfate ion · ion · 3 copies · chains A, P

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111330.820.8487DCP, MG
25210.680.7934SO4
3520.390.8117empty
4600.300.7515empty

Interfaces

3 interfaces between chains.

  • A–T · 690 Ų buried · 22 hydrogen bonds · protein-nucleic
  • A–P · 525 Ų buried · 10 hydrogen bonds · protein-nucleic
  • P–T · 507 Ų buried · 47 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 3OHA · Yeast DNA polymerase eta inserting dCTP opposite an 8oxoG lesion · the same entry in another collection · chain A against A, TM-score 1.00
  • Q04049 · AlphaFold monomer V2.0 prediction for DNA polymerase eta (Q04049) · a predicted model of the same protein · chain A against A, TM-score 0.99

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